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73923-29-2

73923-29-2 | 1H-Benzimidazole, 2,3-dihydro-2-[nitro(phenylazo)methylene]-

CAS No: 73923-29-2 Catalog No: AG008POD MDL No:

Product Description

Catalog Number:
AG008POD
Chemical Name:
1H-Benzimidazole, 2,3-dihydro-2-[nitro(phenylazo)methylene]-
CAS Number:
73923-29-2
Molecular Formula:
C14H11N5O2
Molecular Weight:
281.2694
IUPAC Name:
N-[(Z)-[1H-benzimidazol-2-yl(nitro)methylidene]amino]aniline
InChI:
InChI=1S/C14H11N5O2/c20-19(21)14(18-17-10-6-2-1-3-7-10)13-15-11-8-4-5-9-12(11)16-13/h1-9,17H,(H,15,16)/b18-14-
InChI Key:
NLCUWHTWPIYTDR-JXAWBTAJSA-N
SMILES:
[O-][N+](=O)C(=c1[nH]c2c([nH]1)cccc2)N=Nc1ccccc1

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
281.091g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.275g/mol
Monoisotopic Mass:
281.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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